2-[2-(2-azanyl-3H-1,2,3-thiadiazol-5-yl)-5-nitro-imidazol-1-yl]ethyl ethanoate

Systemtic Name: 2-[2-(2-azanyl-3H-1,2,3-thiadiazol-5-yl)-5-nitro-imidazol-1-yl]ethyl ethanoate Openeye Name: 2-[2-(2-amino-3H-thiadiazol-5-yl)-5-nitro-imidazol-1-yl]ethyl acetate CAS Name: acetic acid 2-[2-(2-amino-3H-thiadiazol-5-yl)-5-nitro-1-imidazolyl]ethyl ester IUPAC Name: 2-[2-(2-amino-3H-thiadiazol-5-yl)-5-nitroimidazol-1-yl]ethyl acetate Traditional Name: acetic acid 2-[2-(2-amino-3H-thiadiazol-5-yl)-5-nitro-imidazol-1-yl]ethyl ester Formula: C9H12N6O4S MolecularWeight: 300.29438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=CN=C1C2=CNN(S2)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN1C(=CN=C1C2=CNN(S2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O4S/c1-6(16)19-3-2-13-8(14(17)18)5-11-9(13)7-4-12-15(10)20-7/h4-5,12H,2-3,10H2,1H3